8-(3,5-diethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 1-acetonyl-7-benzyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-3-methyl-1-(2-oxopropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-7-benzyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-xanthine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)C)CC

InChI

InChI=1S/C23H26N6O3/c1-5-17-12-18(6-2)29(25-17)22-24-20-19(27(22)14-16-10-8-7-9-11-16)21(31)28(13-15(3)30)23(32)26(20)4/h7-12H,5-6,13-14H2,1-4H3